S-[6-[3,5-bis(chloranyl)pyridin-4-yl]hexyl] ethanethioate

Systemtic Name: S-[6-[3,5-bis(chloranyl)pyridin-4-yl]hexyl] ethanethioate Openeye Name: S-[6-(3,5-dichloro-4-pyridyl)hexyl] ethanethioate CAS Name: ethanethioic acid S-[6-(3,5-dichloro-4-pyridinyl)hexyl] ester IUPAC Name: S-[6-(3,5-dichloropyridin-4-yl)hexyl] ethanethioate Traditional Name: ethanethioic acid S-[6-(3,5-dichloro-4-pyridyl)hexyl] ester Formula: C13H17Cl2NOS MolecularWeight: 306.25118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCCC1=C(C=NC=C1Cl)Cl

Isomeric SMILES

CC(=O)SCCCCCCC1=C(C=NC=C1Cl)Cl

InChI

InChI=1S/C13H17Cl2NOS/c1-10(17)18-7-5-3-2-4-6-11-12(14)8-16-9-13(11)15/h8-9H,2-7H2,1H3